Molecule ID: mol1311
SMILES: Cc1ccc(N2CCCC2)cc1
InChI: InChI=1S/C11H15N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | Datawarrior | 1 » 0 |
| 4.69 | OCHEM | 1 » 0 |
| 4.70 | Hunt | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |